CAS No.1191-08-8,1,4-Butanedithiol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1191-08-8
Name:	1,4-Butanedithiol
Article Data:	27

Formula:	C₄H₁₀S₂
Molecular Weight:	122.255
Synonyms:	1,4-Dimercaptobutane;1,4-Dithiolbutane;NSC 60198;Tetramethylenedithiol;
EINECS:	214-728-3
Density:	0.997 g/cm³
Melting Point:	-53.9°C
Boiling Point:	196.333 °C at 760 mmHg
Flash Point:	74.632 °C
Appearance:	clear colorless to pale yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	77.60000
LogP:	1.62620

Synthetic route

: 2,2'-(butane-1,4-diyldi(sulfanediyl))bis[3-(2-aminophenyl)-4-methyl-1,3-thiazol-3-ium] diiodide

A: 3-methyl-thiazolo[3,2-a]benzimidazolium iodide

B: 1191-08-8
1,4-Butanedithiol

Conditions

Conditions	Yield
With methanol for 12h; Reflux;	A n/a B 90%

poly(tetramethylenedisulfide): poly(tetramethylenedisulfide)

A: 505-20-4
1,2-dithiane

B: 1191-08-8
1,4-Butanedithiol

Conditions

Conditions	Yield
With sodium hydroxide; hydrazine hydrate In water at 75℃; for 2h;	A 52% B 18%

: 110-52-1
1,4-dibromo-butane

: 1191-08-8
1,4-Butanedithiol

Conditions

Conditions	Yield
With sodium hydrogensulfide; ethylene glycol unter Einleiten von Schwefelwasserstoff;
With hexamethyldisilathiane; tetrabutyl ammonium fluoride In tetrahydrofuran at -10 - 20℃;	77 % Chromat.

: 6633-90-5
1,4-bis-acetylsulfanyl-butane

: 1191-08-8
1,4-Butanedithiol

Conditions

Conditions	Yield
With sodium hydrogensulfide; ethanol
With sodium hydroxide In acetone Ambient temperature;

: 2986-37-0
VUF 8334

: 1191-08-8
1,4-Butanedithiol

Conditions

Conditions	Yield
With potassium hydroxide; water

: 505-20-4
1,2-dithiane

: 109-80-8
1.3-propanedithiol

A: 557-22-2
1,2-dithiolane

B: 1191-08-8
1,4-Butanedithiol

Conditions

Conditions	Yield
With potassium tert-butylate In dimethylsulfoxide-d6 Equilibrium constant; other solvents;

...Expand

: 505-20-4
1,2-dithiane

: 112453-80-2
benzene-1,2-diethanethiol

A: 1191-08-8
1,4-Butanedithiol

B: 128846-12-8
5,6,9,10-Tetrahydro-7,8-dithia-benzocyclooctene

Conditions

Conditions	Yield
With deuteriated sodium hydroxide; water-d2 In dimethylsulfoxide-d6 Equilibrium constant; Thermodynamic data; ΔG0;

...Expand

: 505-20-4
1,2-dithiane

: 603-35-0
triphenylphosphine

A: 1191-08-8
1,4-Butanedithiol

B: 791-28-6
Triphenylphosphine oxide

Conditions

Conditions	Yield
With water In ethanol at 26℃; Rate constant; Kinetics; Thermodynamic data; different temperatures, ΔH(excit.), ΔS(excit.);
With water In ethanol at 26℃;

...Expand

: 505-20-4
1,2-dithiane

: 1191-08-8
1,4-Butanedithiol

Conditions

Conditions	Yield
With phosphate buffer; lipoamide dehydrogenase; oxidized lipoamide; NAD; egg albumin In methanol; water at 30℃; Equilibrium constant;
With DL-dithiothreitol In d(4)-methanol; water-d2 at 25℃; Equilibrium constant; phosphate buffer(0.5 mM, pH 7.0);

: 50852-78-3
1,4-bis-thiocarbamoylsulfanyl-butane

alkali: alkali

: 1191-08-8
1,4-Butanedithiol

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Chemistry

IUPAC Name: butane-1,4-dithiol
Empirical Formula: C₄H₁₀S₂
Molecular Weight: 122.2522g/mol
EINECS: 214-728-3
Structure of 1,4-Butanedithiol (CAS NO.1191-08-8):

Index of Refraction: 1.504
Molar Refractivity: 36.37 cm³
Molar Volume: 122.6 cm³
Polarizability: 14.41×10^-24cm³
Surface Tension: 33.4 dyne/cm
Density: 0.996 g/cm³
Flash Point: 74.6 °C
Enthalpy of Vaporization: 41.48 kJ/mol
Boiling Point: 196.3 °C at 760 mmHg
Vapour Pressure: 0.563 mmHg at 25°C
Physical Appearance: clear colorless to pale yellow liquid
Canonical SMILES: C(CCS)CS
InChI: InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKey: SMTOKHQOVJRXLK-UHFFFAOYSA-N

Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
F: 13

Specification

1,4-Butanedithiol , its cas register number is 1191-08-8. It also can be called 1,4-Dimercaptobutane ; EINECS 214-728-3 ; NSC 60198 ; Tetramethylenedithiol . 1,4-Butanedithiol (CAS NO.1191-08-8) is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.